Santonin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00231
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00231 contains the MS2 mass spectrum of Santonin with the InChIkey XJHDMGJURBVLLE-BOCCBSBMSA-N.
Source: Santonin
Chemical Info
| InChI | InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1 |
|---|---|
| SMILES | O=C(C=3)C(C)=C([C@](C)(C3)2)[C@]([H])(O1)[C@]([H])(CC2)C(C)C(=O)1 |
| InChI Key | XJHDMGJURBVLLE-BOCCBSBMSA-N |
| Molecular Formula | C15H18O3 |
| Exact Mass | 246.126 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 83b5b2ae-4826-49ac-8ff3-770f5df76736 |
| Package id | msbnk-fiocruz-fio00231 |
| Resource type | HTML |
| State | active |